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2-[(2-OXOHEXADECANOYL)-AMINO]-1-[[(2-OXOHEXADECANOYL)-AMINO]-METHYL]-ETHYL-HEXADECANOATE
SpectraBase Compound ID 2Fuq1tEcN8l
InChI InChI=1S/C51H96N2O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(56)59-46(44-52-50(57)47(54)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-53-51(58)48(55)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3,(H,52,57)(H,53,58)
InChIKey XMQADKCOPNGOBF-UHFFFAOYSA-N
Mol Weight 833.3 g/mol
Molecular Formula C51H96N2O6
Exact Mass 832.726839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5EDSRfjAir
Name 2-[(2-OXOHEXADECANOYL)-AMINO]-1-[[(2-OXOHEXADECANOYL)-AMINO]-METHYL]-ETHYL-HEXADECANOATE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H96N2O6
InChI InChI=1S/C51H96N2O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(56)59-46(44-52-50(57)47(54)41-38-35-32-29-26-23-20-17-14-11-8-5-2)45-53-51(58)48(55)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46H,4-45H2,1-3H3,(H,52,57)(H,53,58)
InChIKey XMQADKCOPNGOBF-UHFFFAOYSA-N
Literature Reference Author S.KOTSOVOLOU,A.CHIOU,R.VERGER,G.KOKOTOS
Literature Reference Citation J.ORG.CHEM.,66,962(2001)
Literature Reference DOI 10.1021/jo005705y
Molecular Weight 833.333 g/mol
Solvent CDCl3
Source File Reference UWVN26177